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<p><font size="-1">Hello everybody <br>
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<p><font size="-1">you can join the meeting at this link. <br>
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<p><font size="-1"><a class="moz-txt-link-freetext" href="https://meet.google.com/pur-hurt-ibs">https://meet.google.com/pur-hurt-ibs</a><br>
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<p><font size="-1">Maybe it is better if you use chrome browser</font></p>
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<div class="moz-cite-prefix">On 06/01/19 03:53, Ye Luo wrote:<br>
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<div>Echo Ari. It will be great if the meeting can be
streamed. Otherwise, having all the slides uploaded is also
very useful.</div>
<div>The list give by Paolo is not short but we can probably
divide and conquer it.</div>
<div>By forming Working groups and having meeting monthly or
by weekly, we can get things nailed in 2019.<br>
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<div>Best, Ye<br>
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<div dir="ltr">===================<br>
Ye Luo, Ph.D.<br>
Leadership Computing Facility<br>
Argonne National Laboratory</div>
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<div dir="ltr">Ari P Seitsonen <<a
href="mailto:Ari.P.Seitsonen@iki.fi" moz-do-not-send="true">Ari.P.Seitsonen@iki.fi</a>>
于2019年1月5日周六 下午2:29写道：<br>
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Dear Paolo, Nicola, Stefano et co,<br>
<br>
Sorry if I have missed it, but will the Developers' Meeting
get <br>
broadcasted this time? That is can we follow (possibly
participate) in the <br>
discussion?<br>
<br>
Greetings from Paris, buon 2019!,<br>
<br>
apsi<br>
<br>
-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-<br>
Ari Paavo Seitsonen / <a
href="mailto:Ari.P.Seitsonen@iki.fi" target="_blank"
moz-do-not-send="true">Ari.P.Seitsonen@iki.fi</a> / <a
href="http://www.iki.fi/~apsi/" rel="noreferrer"
target="_blank" moz-do-not-send="true">http://www.iki.fi/~apsi/</a><br>
Ecole Normale Supérieure (ENS), Département de Chimie,
Paris<br>
Mobile (F) : +33 789 37 24 25 (CH) : +41 79 71 90 935<br>
<br>
<br>
On Sat, 5 Jan 2019, Paolo Giannozzi wrote:<br>
<br>
> Hi Nicola, my list (attached) is longer than yours, and
it is not even<br>
> complete (some recent, MaX-2 related stuff is still
missing).<br>
><br>
> Paolo<br>
><br>
> On 05/01/2019 2:25 PM, Nicola Marzari wrote:<br>
>> On 21/12/2018 18:12, Paolo Giannozzi wrote:<br>
>>> Makes sense to me as well. I have updated the
tentative agenda<br>
>>> accordingly (same link as before:<br>
>>> <a
href="http://www.quantum-espresso.org/news-events/news/qe-developers-meeting-2019"
rel="noreferrer" target="_blank" moz-do-not-send="true">http://www.quantum-espresso.org/news-events/news/qe-developers-meeting-2019</a>).<br>
>>><br>
>><br>
>><br>
>><br>
>> Dear All,<br>
>><br>
>><br>
>> I've collected a few of the desiderata from here and
from other groups,<br>
>> about some of the more pressing needs for QE (maybe
something to keep in<br>
>> mind also for MaX, given that the funding is meant to
support a user<br>
>> community?).<br>
>><br>
>> As you can see from the list below, they have a lot
to do with using<br>
>> the code(s) in reliable ways, minimizing the external
changes from one<br>
>> release to the other.<br>
>><br>
>> Also, note that it's very difficult for groups
outside Trieste<br>
>> to have a sense of what will/will not happen to the
codes, and this<br>
>> doesn't help the broader developer community (gitlab
has improved things<br>
>> a lot, but there is still the sense that changes and
developments aren't<br>
>> coming from bottom-up requests, or even a broader
discussion - having<br>
>> regular meetings of the QEF foundation, or
pre-planned developers'<br>
>> meetings where people can connect in remore, or
public hackatons on<br>
>> certain goals, would all help - especially if
adveertised/planned<br>
>> early).<br>
>><br>
>> Here is the list:<br>
>><br>
>> -----<br>
>> 1) XML output - it would be great to have some public
reference document<br>
>> or roadmap (e.g. on gitlab) that could summarize<br>
>><br>
>> - current status of XML output, open issues, and
which will be<br>
>> addressed in the following release<br>
>><br>
>> - which PP tools do/do not support the new XML<br>
>><br>
>> 2) roadmap for pw and for other codes: what are the
planned<br>
>> developments, especially for what concerns the input
and output<br>
>> (this is e.g. essential for us, to make sure we do
not lose<br>
>> functionality of all the workflows developed)<br>
>><br>
>> 3) hdf5 file format (with documented schema): what is
the status?<br>
>> it would be great to have it for all binary data, in
particular for<br>
>> wavefunctions, density and potential, encoding all
auxiliary data needed<br>
>> for interoperability and reproducibility (e.g.
g-vector ordering, cell<br>
>> vectors, etc..).<br>
>><br>
>> 4) k-point generation (and symmetries): standardize
generation, for<br>
>> example by adopting spglib, which is increasingly
becoming a de facto<br>
>> standard and has wide functionality.<br>
>><br>
>> 5) pseudopotentials (less of an issue): which format
to use upf, json,<br>
>> xml ? upf is a poor approximation of xml.<br>
>> -----<br>
>><br>
>> Thanks a lot,<br>
>><br>
>> nicola<br>
>><br>
>><br>
>><br>
>>
----------------------------------------------------------------------<br>
>> Prof Nicola Marzari, Chair of Theory and Simulation
of Materials, EPFL<br>
>> Director, National Centre for Competence in Research
NCCR MARVEL, EPFL<br>
>> <a href="http://theossrv1.epfl.ch/Main/Contact"
rel="noreferrer" target="_blank" moz-do-not-send="true">http://theossrv1.epfl.ch/Main/Contact</a>
<a href="http://nccr-marvel.ch/en/project" rel="noreferrer"
target="_blank" moz-do-not-send="true">http://nccr-marvel.ch/en/project</a><br>
><br>
> -- <br>
> Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e
Fisiche,<br>
> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy<br>
> Phone +39-0432-558216, fax +39-0432-558222<br>
>_______________________________________________<br>
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<pre class="moz-quote-pre" wrap="">_______________________________________________
developers mailing list
<a class="moz-txt-link-abbreviated" href="mailto:developers@lists.quantum-espresso.org">developers@lists.quantum-espresso.org</a>
<a class="moz-txt-link-freetext" href="https://lists.quantum-espresso.org/mailman/listinfo/developers">https://lists.quantum-espresso.org/mailman/listinfo/developers</a>
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